Structure of PDB 9enk Chain A Binding Site BS02

Receptor Information

>9enk Chain A (length=537) Species: 76867 (Hebeloma cylindrosporum)

SPPGGERVGILGAGIGGLYSALILQSLDVPFEIIEASNRVGGRLFTHKFP
NGGKYDYYDVGAMRYPLPKSDDKGNYQPGVMQRVGQLFTYLGMHKQLIPY
YFKSNKSPGFQYFNGVRARIGEGSSFDAPALGINSSLIDIGVTKIVNDAV
GPFAQALFDDLQKHTTTGWDDMMKNDAYSTRSYFSFKYLPSPSFGLPSEH
FSTRVINWLETFDKSTGWYDRGLTETVLEAIAFGEVEVDWRCIDGGSHVL
PDTIAAFLHKKGGNAFVMNASVTAIGLENPNKEDSPMVVVAGGQKRKYSH
VISTLPLPVLRTVDLKNSKLDIVQSNALRKLQYGPSIKIGILFKEPWWTT
GQDKNGEKFDLVGGQSYTDLPIRTVVYPSYGVNTNAPSNTLIASYCWTND
AERMGSLIGTGAATYEEQLEHLVLSNLAAVHNTDYQYLKDRLVDVHSWDW
NHNPLTMGAFAFFGPGDFQDLYTSLNRPAANGKLHFAGEALSVRHAWVVG
ALDSAWRAVYNYLYVTDPAKLPKFFELWGKNAEWFEQ

Ligand information

• Ligand ID: PHE
• InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
• InChIKey: COLNVLDHVKWLRT-QMMMGPOBSA-N
• SMILES:
  CACTVS 3.341: N[CH](Cc1ccccc1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1ccccc1)C(O)=O
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)CC(C(=O)O)N
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)C[C@@H](C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)Cc1ccccc1
• Formula: C9 H11 N O2
• Name: PHENYLALANINE
• ChEMBL: CHEMBL301523
• DrugBank: DB00120
• ZINC: ZINC000000105196
• PDB chain: 9enk Chain A Residue 702

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9enk Crystal structure and enzyme engineering of the broad substrate spectrum L-amino acid oxidase 4 from the fungus Hebeloma cylindrosporum
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): R123 W277 E288 F292 Y457 W459 A558 W559
• Binding residue (residue number reindexed from 1): R64 W218 E229 F233 Y395 W397 A496 W497
• Annotation score: 4

External links

• PDB: RCSB:9enk, PDBe:9enk, PDBj:9enk
• PDBsum: 9enk
• PubMed: 39152524
• UniProt: S4S6Z0